bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-methylthieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium)

C198H254Ir4N4O8S4-4 — CID 163528324

About bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-methylthieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium)

bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-methylthieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium) (PubChem CID 163528324) has the molecular formula C198H254Ir4N4O8S4-4 and a molecular weight of 3715.37 g/mol. Its IUPAC name is bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-methylthieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium).

Molecular Properties

• Compound Name: bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-methylthieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium)
• PubChem CID: 163528324
• Molecular Formula: C198H254Ir4N4O8S4-4
• Molecular Weight: 3715.37 g/mol
• Exact Mass: 3715.70
• IUPAC Name: bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-methylthieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium)
• SMILES: CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1c(-c2ccc(C3CCC(C)(C)CC3)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.Cc1c(-c2ccc(C3CCC(C)(C)CC3)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.Cc1c(-c2ccc(CC(C)(C)C)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.Cc1c(-c2ccc(CC(C)(C)C)cc2)sc2c(-c3[c-]c4ccccc4c(C4CCCCC4)c3)nccc12.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C36H38NS.C35H36NS.C33H34NS.C17H32O2.C15H28O2.2C13H24O2.4Ir/c2*1-23-29-17-20-37-32(28-21-27-9-7-8-10-30(27)31(22-28)35(2,3)4)34(29)38-33(23)26-13-11-24(12-14-26)25-15-18-36(5,6)19-16-25;1-23-29-18-19-36-32(34(29)37-33(23)26-16-14-24(15-17-26)22-35(2,3)4)28-20-27-12-8-9-13-30(27)31(21-28)25-10-6-5-7-11-25;1-21-26-16-17-34-29(25-18-24-10-8-9-11-27(24)28(19-25)33(5,6)7)31(26)35-30(21)23-14-12-22(13-15-23)20-32(2,3)4;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h2*7-14,17,20,22,25H,15-16,18-19H2,1-6H3;8-9,12-19,21,25H,5-7,10-11,22H2,1-4H3;8-17,19H,20H2,1-7H3;9-13,16-18H,1-8H3;11,16H,7-10H2,1-6H3;2*9-11,14H,5-8H2,1-4H3;;;;/q4*-1
• InChIKey: JKUBHFAGEAQILX-UHFFFAOYSA-N
• XLogP: 59.29
• TPSA: 200.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 41
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3715.37
LogP ≤ 5	59.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-methylthieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium)?

The IUPAC name of bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-methylthieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium) (CID 163528324) is bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-methylthieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium).

What is the SMILES notation for bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-methylthieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium)?

The canonical SMILES for bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-methylthieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium) is CC(C)C(C(=O)C=C(O)C(C(C)C)C(C)C)C(C)C.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1c(-c2ccc(C3CCC(C)(C)CC3)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.Cc1c(-c2ccc(C3CCC(C)(C)CC3)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.Cc1c(-c2ccc(CC(C)(C)C)cc2)sc2c(-c3[c-]c4ccccc4c(C(C)(C)C)c3)nccc12.Cc1c(-c2ccc(CC(C)(C)C)cc2)sc2c(-c3[c-]c4ccccc4c(C4CCCCC4)c3)nccc12.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-methylthieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium)?

The InChIKey is JKUBHFAGEAQILX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H38NS.C35H36NS.C33H34NS.C17H32O2.C15H28O2.2C13H24O2.4Ir/c2*1-23-29-17-20-37-32(28-21-27-9-7-8-10-30(27)31(22-28)35(2,3)4)34(29)38-33(23)26-13-11-24(12-14-26)25-15-18-36(5,6)19-16-25;1-23-29-18-19-36-32(34(29)37-33(23)26-16-14-24(15-17-26)22-35(2,3)4)28-20-27-12-8-9-13-30(27)31(21-28)25-10-6-5-7-11-25;1-21-26-16-17-34-29(25-18-24-10-8-9-11-27(24)28(19-25)33(5,6)7)31(26)35-30(21)23-14-12-22(13-15-23)20-32(2,3)4;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h2*7-14,17,20,22,25H,15-16,18-19H2,1-6H3;8-9,12-19,21,25H,5-7,10-11,22H2,1-4H3;8-17,19H,20H2,1-7H3;9-13,16-18H,1-8H3;11,16H,7-10H2,1-6H3;2*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;.

What are the key properties of bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-methylthieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium)?

bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-methylthieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium) has a molecular weight of 3715.37 g/mol, XLogP of 59.29, 41 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(4,4-dimethylcyclohexyl)phenyl]-3-methylthieno[2,3-c]pyridine);7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;7-(4-cyclohexyl-1H-naphthalen-1-id-2-yl)-2-[4-(2,2-dimethylpropyl)phenyl]-3-methylthieno[2,3-c]pyridine;3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);6-hydroxy-2,8-dimethyl-3,7-di(propan-2-yl)non-5-en-4-one;tetrakis(iridium) is sourced from PubChem (CID 163528324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).